SCHEMBL6979834

SCHEMBL6979834

COc1cc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.71
PIK3CB P42338 5/20 0.71
PIK3CG P48736 5/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
EGFR P00533 3/20 0.70
CDK2 P24941 2/20 0.70
JAK2 O60674 1/20 0.70
PTK2B Q14289 1/20 0.70
ZAP70 P43403 8/20 0.65
PRKCA P17252 4/20 0.65
PRKD3 O94806 3/20 0.65
PRKCG P05129 3/20 0.65
PRKCB P05771 3/20 0.65
LCK P06239 3/20 0.65
PRKCH P24723 3/20 0.65
PRKCI P41743 3/20 0.65
PRKCE Q02156 3/20 0.65
PRKCQ Q04759 3/20 0.65
PRKCZ Q05513 3/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6980985 0.88 PLK1 (0.69) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL6950523 0.85 ZAP70 (0.73) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL4732945 0.83 PIK3CA (0.80) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL6979315 0.83 CDK2 (0.79) PIK3CAPIK3CBPIK3CGEGFRCDK2
SCHEMBL6978697 0.82 CDK2 (0.78) PIK3CAPIK3CBPIK3CGEGFRCDK2
SCHEMBL6977451 0.82 CDK2 (0.78) PIK3CAPIK3CBPIK3CGEGFRCDK2
SCHEMBL6972462 0.82 PIK3CG (0.78) PIK3CAPIK3CBPIK3CGEGFRCDK2
SCHEMBL6977323 0.82 CDK2 (0.77) PIK3CAPIK3CBPIK3CGEGFRCDK2
SCHEMBL6974310 0.82 ZAP70 (0.80) PIK3CAPIK3CBPIK3CGEGFRCDK2
SCHEMBL6971160 0.81 CDK2 (0.71) PIK3CAPIK3CBPIK3CGEGFRCDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed